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CHEBI:132312 - S-octanoyl-4'-phosphopantetheine

ChEBI IDCHEBI:132312
ChEBI NameS-octanoyl-4'-phosphopantetheine
Stars
ASCII NameS-octanoyl-4'-phosphopantetheine
DefinitionAn S-acyl-4'-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4'-phosphate with the carboxy group of octanoic acid.
Last Modified29 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC19H37N2O8PS
Net Charge0
Average Mass484.552
Monoisotopic Mass484.20082
SMILESCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)O
InChIInChI=1S/C19H37N2O8PS/c1-4-5-6-7-8-9-16(23)31-13-12-20-15(22)10-11-21-18(25)17(24)19(2,3)14-29-30(26,27)28/h17,24H,4-14H2,1-3H3,(H,20,22)(H,21,25)(H2,26,27,28)/t17-/m0/s1
InChIKeyJIQRMRIKUIPMRV-KRWDZBQOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (18799520)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
water-soluble vitamin (role)  Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine.
ChEBI Ontology
Outgoing Relation(s)
S-octanoyl-4'-phosphopantetheine (CHEBI:132312) has functional parent octanoic acid (CHEBI:28837)
S-octanoyl-4'-phosphopantetheine (CHEBI:132312) has role mouse metabolite (CHEBI:75771)
S-octanoyl-4'-phosphopantetheine (CHEBI:132312) is a S-acyl-4'-phosphopantetheine (CHEBI:132310)
S-octanoyl-4'-phosphopantetheine (CHEBI:132312) is conjugate acid of S-octanoyl-4'-phosphopantetheine(2−) (CHEBI:132013)
Incoming Relation(s)
S-octanoyl-4'-phosphopantetheine(2−) (CHEBI:132013) is conjugate base of S-octanoyl-4'-phosphopantetheine (CHEBI:132312)
IUPAC Name 
S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-β-alanyl}amino)ethyl] octanethioate
Synonyms  Source
octanoyl-4'-phosphopantetheineChEBI
S-octanoyl-D-pantetheine 4'-phosphateChEBI
capryloyl-4'-phosphopantetheineChEBI
S-capryloyl-4'-phosphopantetheineChEBI
S-capryloyl-D-pantetheine 4'-phosphateChEBI
Citations